2-BROMO-4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE

The Benzenesulfonylchloride, 2-bromo-4-(trifluoromethyl)-, with the CAS registry number 54403-98-4, is also known as 2-Bromo-4-(trifluoromethyl)benzenesulphonyl chloride 97%. It belongs to the product categories of Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. This chemical's molecular formula is C₇H₃BrClF₃O₂S and molecular weight is 323.5147. Its systematic name is called 2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride.

Physical properties of Benzenesulfonylchloride, 2-bromo-4-(trifluoromethyl)-: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 154.29; (6)ACD/BCF (pH 7.4): 154.29; (7)ACD/KOC (pH 5.5): 1282.38; (8)ACD/KOC (pH 7.4): 1282.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 53.11 cm³; (14)Molar Volume: 175.7 cm³; (15)Surface Tension: 37.5 dyne/cm; (16)Density: 1.84 g/cm³; (17)Flash Point: 131.6 °C; (18)Enthalpy of Vaporization: 51.22 kJ/mol; (19)Boiling Point: 294 °C at 760 mmHg; (20)Vapour Pressure: 0.00293 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It is flammable which may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should take off immediately all contaminated clothing. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1ccc(cc1Br)C(F)(F)F
(2)InChI: InChI=1/C7H3BrClF3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
(3)InChIKey: WWEGTYZLWBOTQW-UHFFFAOYAK